tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate

C71H70ClN5O8 — CID 159293164

IUPACtert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)NCC(=O)N1CCC2=C(Cc3ccccc32)C1c1ccncc1.COC(=O)C1CC2=C(Cc3ccccc32)C(c2ccc(OC)cc2)N1.COc1ccccc1C1C2=C(CCN1C(=O)c1cccc(Cl)c1)c1ccccc1C2
InChIInChI=1S/C26H22ClNO2.C24H27N3O3.C21H21NO3/c1-30-24-12-5-4-11-22(24)25-23-16-17-7-2-3-10-20(17)21(23)13-14-28(25)26(29)18-8-6-9-19(27)15-18;1-24(2,3)30-23(29)26-15-21(28)27-13-10-19-18-7-5-4-6-17(18)14-20(19)22(27)16-8-11-25-12-9-16;1-24-15-9-7-13(8-10-15)20-18-11-14-5-3-4-6-16(14)17(18)12-19(22-20)21(23)25-2/h2-12,15,25H,13-14,16H2,1H3;4-9,11-12,22H,10,13-15H2,1-3H3,(H,26,29);3-10,19-20,22H,11-12H2,1-2H3
InChIKeyLAJODMHTKIJXTF-UHFFFAOYSA-N
MW1156.82 g/mol
LogP13.12
Rot. Bonds9

About tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate

tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate (PubChem CID 159293164) has the molecular formula C71H70ClN5O8 and a molecular weight of 1156.82 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate
PubChem CID159293164
Molecular FormulaC71H70ClN5O8
Molecular Weight1156.82 g/mol
Exact Mass1155.49
IUPAC Nametert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)NCC(=O)N1CCC2=C(Cc3ccccc32)C1c1ccncc1.COC(=O)C1CC2=C(Cc3ccccc32)C(c2ccc(OC)cc2)N1.COc1ccccc1C1C2=C(CCN1C(=O)c1cccc(Cl)c1)c1ccccc1C2
InChIInChI=1S/C26H22ClNO2.C24H27N3O3.C21H21NO3/c1-30-24-12-5-4-11-22(24)25-23-16-17-7-2-3-10-20(17)21(23)13-14-28(25)26(29)18-8-6-9-19(27)15-18;1-24(2,3)30-23(29)26-15-21(28)27-13-10-19-18-7-5-4-6-17(18)14-20(19)22(27)16-8-11-25-12-9-16;1-24-15-9-7-13(8-10-15)20-18-11-14-5-3-4-6-16(14)17(18)12-19(22-20)21(23)25-2/h2-12,15,25H,13-14,16H2,1H3;4-9,11-12,22H,10,13-15H2,1-3H3,(H,26,29);3-10,19-20,22H,11-12H2,1-2H3
InChIKeyLAJODMHTKIJXTF-UHFFFAOYSA-N
XLogP13.12
TPSA148.63 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001156.82
LogP ≤ 513.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate with MolForge

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Related Compounds

tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;N-[(4-tert-butylphenyl)methyl]-N-[2-(3H-inden-1-yl)ethyl]butanamide;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 4-[2-(3-chlorobenzoyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]benzoate;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 157212646
tert-butyl N-[5-[1-(4-cyanophenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-5-oxopentyl]carbamate
CID 157242095
tert-butyl N-[2-oxo-2-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate
CID 158764252
tert-butyl N-[[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]phenyl]methyl]carbamate;tert-butyl N-[4-[3-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-3-oxopropyl]cyclohexyl]carbamate
CID 158131134
tert-butyl N-[2-[1-(3-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoethyl]carbamate
CID 145281640
[1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone
CID 110288981
tert-butyl N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]carbamate
CID 55388968
methyl 2-[(1R)-2-(3-chlorobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate
CID 8501761
methyl N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 75404379
(3-chlorophenyl)-[1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 46095487
1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 56547066
[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methoxyphenyl)methanone
CID 992902

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate?
The IUPAC name of tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate (CID 159293164) is tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate?
The canonical SMILES for tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate is CC(C)(C)OC(=O)NCC(=O)N1CCC2=C(Cc3ccccc32)C1c1ccncc1.COC(=O)C1CC2=C(Cc3ccccc32)C(c2ccc(OC)cc2)N1.COc1ccccc1C1C2=C(CCN1C(=O)c1cccc(Cl)c1)c1ccccc1C2.
What is the InChIKey of tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate?
The InChIKey is LAJODMHTKIJXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClNO2.C24H27N3O3.C21H21NO3/c1-30-24-12-5-4-11-22(24)25-23-16-17-7-2-3-10-20(17)21(23)13-14-28(25)26(29)18-8-6-9-19(27)15-18;1-24(2,3)30-23(29)26-15-21(28)27-13-10-19-18-7-5-4-6-17(18)14-20(19)22(27)16-8-11-25-12-9-16;1-24-15-9-7-13(8-10-15)20-18-11-14-5-3-4-6-16(14)17(18)12-19(22-20)21(23)25-2/h2-12,15,25H,13-14,16H2,1H3;4-9,11-12,22H,10,13-15H2,1-3H3,(H,26,29);3-10,19-20,22H,11-12H2,1-2H3.
What are the key properties of tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate?
tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate has a molecular weight of 1156.82 g/mol, XLogP of 13.12, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate is sourced from PubChem (CID 159293164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).